Summary

IMPPAT Phytochemical identifier: IMPHY008061

Phytochemical name: Euchrenone a9

Synonymous chemical names:
euchrenone a9

External chemical identifiers:
CID:14704583

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Chemical structure information

SMILES:
CC(=CCc1c2OC(C)(C)C=Cc2c2c(c1O)C(=O)CC(O2)c1ccc(cc1O)O)C

InChI:
InChI=1S/C25H26O6/c1-13(2)5-7-16-22(29)21-19(28)12-20(15-8-6-14(26)11-18(15)27)30-24(21)17-9-10-25(3,4)31-23(16)17/h5-6,8-11,20,26-27,29H,7,12H2,1-4H3

InChIKey:
WUVGXZKCQBMDDK-UHFFFAOYSA-N

DeepSMILES:
CC=CCccOCC)C)C=Cc6ccc%10O))C=O)CCO6)cccccc6O)))O)))))))))))))))))))C

Functional groups:
CC=C(C)C, cC(C)=O, cC=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2c1ccc1c2C=CCO1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCC1OCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.938

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Chemical structure download